7-(3-chlorophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one

C18H12ClN3O — CID 135463376

IUPAC7-(3-chlorophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1
InChIInChI=1S/C18H12ClN3O/c19-13-7-4-8-14(9-13)22-10-15(12-5-2-1-3-6-12)16-17(22)20-11-21-18(16)23/h1-11H,(H,20,21,23)
InChIKeyCHXYMVHDBQODDL-UHFFFAOYSA-N
MW321.77 g/mol
LogP4.03
Rot. Bonds2

About 7-(3-chlorophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one

7-(3-chlorophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 135463376) has the molecular formula C18H12ClN3O and a molecular weight of 321.77 g/mol. Its IUPAC name is 7-(3-chlorophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(3-chlorophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID135463376
Molecular FormulaC18H12ClN3O
Molecular Weight321.77 g/mol
Exact Mass321.07
IUPAC Name7-(3-chlorophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1
InChIInChI=1S/C18H12ClN3O/c19-13-7-4-8-14(9-13)22-10-15(12-5-2-1-3-6-12)16-17(22)20-11-21-18(16)23/h1-11H,(H,20,21,23)
InChIKeyCHXYMVHDBQODDL-UHFFFAOYSA-N
XLogP4.03
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,7-Diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol
CID 135463744
7-(4-bromophenyl)-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135493519
N-(7-Chloro-4-oxo-1-phenyl-1,4-dihydro-quinolin-3-ylmethyl)-6-pyrrolidin-1-yl-nicotin-amide
CID 71208846
A1AR antagonist 5
CID 135646528
N-(5-chloropyridin-2-yl)-2-(4-(imino(pyrrolidin-1-yl)methyl)benzamido)benzamide
CID 10297501
6-(3-Chlorophenylamino)-N-(4-fluorobenzyl)-4-isopropyl-nicotinamide
CID 17984783
6-(3-chloroanilino)-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 44570120
6-(3-chloroanilino)-N-(2-methylpropyl)-4-propan-2-ylpyridine-3-carboxamide
CID 44570165
6-(3-chloroanilino)-N-(2,2-dimethylpropyl)-4-propan-2-ylpyridine-3-carboxamide
CID 44570166
6-(3-chloroanilino)-N-(2-ethylbutyl)-4-propan-2-ylpyridine-3-carboxamide
CID 44570167
2-(3-Chlorophenylamino)-4-trifluoromethylpyridine-5-carboxylic acid cyclohexylmethyl amide
CID 44570612
7-(4-Fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-ol
CID 135500640

Frequently Asked Questions

What is the IUPAC name of 7-(3-chlorophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 7-(3-chlorophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one (CID 135463376) is 7-(3-chlorophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-(3-chlorophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 7-(3-chlorophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one is O=c1[nH]cnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1.
What is the InChIKey of 7-(3-chlorophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is CHXYMVHDBQODDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O/c19-13-7-4-8-14(9-13)22-10-15(12-5-2-1-3-6-12)16-17(22)20-11-21-18(16)23/h1-11H,(H,20,21,23).
What are the key properties of 7-(3-chlorophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
7-(3-chlorophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 321.77 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chlorophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135463376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).